From: Adam Sieradzan Date: Tue, 14 Jun 2016 11:35:43 +0000 (+0200) Subject: clean in COMMON X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=commitdiff_plain;h=3feffc8d118fbdbe524649ccf8a154cc1862c95d clean in COMMON --- diff --git a/source/unres/src_MD-M/COMMON.DERIV b/source/unres/src_MD-M/COMMON.DERIV index a830225..732f6bb 100644 --- a/source/unres/src_MD-M/COMMON.DERIV +++ b/source/unres/src_MD-M/COMMON.DERIV @@ -1,4 +1,4 @@ - double precision dcdv,dxdv,dxds,gradx,gradc,gvdwc,gelc,gelc_long + double precision dcdv,dxdv,dxds,gradx,gradc,gvdwc,gelc,gelc_long, & gvdwpp,gel_loc,gel_loc_long,gvdwc_scpp,gliptranc,gliptranx, & gradx_scp,gvdwc_scp,ghpbx,ghpbc,gloc,gloc_x,dtheta,dphi,dalpha, & domega,gscloc,gsclocx,gradcorr,gradcorr_long,gradcorr5_long, diff --git a/source/unres/src_MD-M/DIMENSIONS b/source/unres/src_MD-M/DIMENSIONS index 90fdb7d..d6c5e46 100644 --- a/source/unres/src_MD-M/DIMENSIONS +++ b/source/unres/src_MD-M/DIMENSIONS @@ -16,7 +16,7 @@ C Max. number of coarse-grain processors parameter (max_cg_procs=maxprocs) C Max. number of AA residues integer maxres - parameter (maxres=600) + parameter (maxres=800) C Appr. max. number of interaction sites integer maxres2,maxres6,mmaxres2 parameter (maxres2=2*maxres,maxres6=6*maxres) diff --git a/source/wham/src-M/DIMENSIONS b/source/wham/src-M/DIMENSIONS index b1d6ee8..f38bcdd 100644 --- a/source/wham/src-M/DIMENSIONS +++ b/source/wham/src-M/DIMENSIONS @@ -14,7 +14,7 @@ c parameter (max_cg_procs=maxprocs) C Max. number of AA residues integer maxres c parameter (maxres=250) - parameter (maxres=500) + parameter (maxres=800) C Appr. max. number of interaction sites integer maxres2 parameter (maxres2=2*maxres)